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SMILES: Fc1cc(ccn1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1

InChI Key: InChIKey=NTLUHAJDTISTSQ-ACAGNQJTSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 218935   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase II subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM218935
PNG
(US9303033, K8, Table 22A, Compound 31 | US9303033,...)
Show SMILES Fc1cc(ccn1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C18H14FN7O2/c19-14-6-9(3-4-20-14)12-7-15(22-11-1-2-11)26-16(23-12)10(8-21-26)5-13-17(27)25-18(28)24-13/h3-8,11,22H,1-2H2,(H2,24,25,27,28)/b13-5-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.2n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218935
PNG
(US9303033, K8, Table 22A, Compound 31 | US9303033,...)
Show SMILES Fc1cc(ccn1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C18H14FN7O2/c19-14-6-9(3-4-20-14)12-7-15(22-11-1-2-11)26-16(23-12)10(8-21-26)5-13-17(27)25-18(28)24-13/h3-8,11,22H,1-2H2,(H2,24,25,27,28)/b13-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.50E+3n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit beta


(Homo sapiens (Human))
BDBM218935
PNG
(US9303033, K8, Table 22A, Compound 31 | US9303033,...)
Show SMILES Fc1cc(ccn1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C18H14FN7O2/c19-14-6-9(3-4-20-14)12-7-15(22-11-1-2-11)26-16(23-12)10(8-21-26)5-13-17(27)25-18(28)24-13/h3-8,11,22H,1-2H2,(H2,24,25,27,28)/b13-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75.4n/an/an/an/a7.0n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
5 uM ATP: Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 m...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha/beta


(Homo sapiens (Human)-Rattus norvegicus)
BDBM218935
PNG
(US9303033, K8, Table 22A, Compound 31 | US9303033,...)
Show SMILES Fc1cc(ccn1)-c1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1
Show InChI InChI=1S/C18H14FN7O2/c19-14-6-9(3-4-20-14)12-7-15(22-11-1-2-11)26-16(23-12)10(8-21-26)5-13-17(27)25-18(28)24-13/h3-8,11,22H,1-2H2,(H2,24,25,27,28)/b13-5-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a7.2n/a



SENHWA BIOSCIENCES, INC.

US Patent


Assay Description
In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...


US Patent US9303033 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72RX
More data for this
Ligand-Target Pair